N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H15ClN6 — CID 166060920

IUPACN-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccncc2)c2c(NCc3ccccc3)nc(Cl)nc21
InChIInChI=1S/C18H15ClN6/c1-25-17-14(15(24-25)13-7-9-20-10-8-13)16(22-18(19)23-17)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyZVPYJVKHKFROOA-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.69
Rot. Bonds4

About N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 166060920) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID166060920
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC NameN-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccncc2)c2c(NCc3ccccc3)nc(Cl)nc21
InChIInChI=1S/C18H15ClN6/c1-25-17-14(15(24-25)13-7-9-20-10-8-13)16(22-18(19)23-17)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyZVPYJVKHKFROOA-UHFFFAOYSA-N
XLogP3.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[(6-chloro-1-methyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]sulfamic acid
CID 166060886
4-[[(6-chloro-1-methyl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539601
4-[[[6-chloro-3-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 156539557
N-benzyl-2,5-dichloroquinazolin-4-amine
CID 87550452
[4-[[(1-methyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]sulfamic acid
CID 166060851
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
CID 118141132
2-chloro-4-(pyridin-4-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 134480773
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318
N-benzyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 70676789
2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886946
N-benzyl-2-chloro-9-[(2,6-difluoro-3-methylphenyl)methyl]purin-6-amine
CID 89199326

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 166060920) is N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2ccncc2)c2c(NCc3ccccc3)nc(Cl)nc21.
What is the InChIKey of N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZVPYJVKHKFROOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c1-25-17-14(15(24-25)13-7-9-20-10-8-13)16(22-18(19)23-17)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 350.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-1-methyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166060920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).